diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate

C39H29EuF3NO5P — CID 177066165

About diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate

diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate (PubChem CID 177066165) has the molecular formula C39H29EuF3NO5P and a molecular weight of 831.60 g/mol. Its IUPAC name is diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate.

Molecular Properties

• Compound Name: diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate
• PubChem CID: 177066165
• Molecular Formula: C39H29EuF3NO5P
• Molecular Weight: 831.60 g/mol
• Exact Mass: 832.09
• IUPAC Name: diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate
• SMILES: O.O=C(c1c(O)c2c3ccccc3ccc2n(-c2ccccc2)c1=O)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
• InChI: InChI=1S/C21H12F3NO3.C18H15OP.Eu.H2O/c22-21(23,24)19(27)17-18(26)16-14-9-5-4-6-12(14)10-11-15(16)25(20(17)28)13-7-2-1-3-8-13;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-11,26H;1-15H;;1H2
• InChIKey: QMKAGJVJZXCFLN-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 107.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.60
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate?

The IUPAC name of diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate (CID 177066165) is diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate.

What is the SMILES notation for diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate?

The canonical SMILES for diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate is O.O=C(c1c(O)c2c3ccccc3ccc2n(-c2ccccc2)c1=O)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu].

What is the InChIKey of diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate?

The InChIKey is QMKAGJVJZXCFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3NO3.C18H15OP.Eu.H2O/c22-21(23,24)19(27)17-18(26)16-14-9-5-4-6-12(14)10-11-15(16)25(20(17)28)13-7-2-1-3-8-13;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-11,26H;1-15H;;1H2.

What are the key properties of diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate?

diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate has a molecular weight of 831.60 g/mol, XLogP of 7.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate is sourced from PubChem (CID 177066165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).